delta7-Dafachronic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP010811
Dataset description:
This MassBank record with Accession MSBNK-BGC_Munich-RP010811 contains the MS2 mass spectrum of delta7-Dafachronic acid with the InChIkey SQTAVUCHOVVOFD-GAMFLDECSA-N.
Source: delta7-Dafachronic acid
Chemical Info
| InChI | InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18?,19+,22-,23+,24+,26+,27-/m1/s1 |
|---|---|
| SMILES | C[C@H](CCCC(C)C(O)=O)[C@H]1CC[C@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Key | SQTAVUCHOVVOFD-GAMFLDECSA-N |
| Molecular Formula | C27H42O3 |
| Exact Mass | 414.313 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | f727db9f-b348-4b05-bdaf-beb22f29d778 |
| Package id | msbnk-bgc_munich-rp010811 |
| Resource type | HTML |
| State | active |